6-(3,4-dichlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde

C15H13Cl2NO2 — CID 82519120

IUPAC6-(3,4-dichlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
SMILESCC(C)n1c(-c2ccc(Cl)c(Cl)c2)ccc(C=O)c1=O
InChIInChI=1S/C15H13Cl2NO2/c1-9(2)18-14(6-4-11(8-19)15(18)20)10-3-5-12(16)13(17)7-10/h3-9H,1-2H3
InChIKeyUHALPLPGMNFLFK-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.22
Rot. Bonds3

About 6-(3,4-dichlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde

6-(3,4-dichlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde (PubChem CID 82519120) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
PubChem CID82519120
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name6-(3,4-dichlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
SMILESCC(C)n1c(-c2ccc(Cl)c(Cl)c2)ccc(C=O)c1=O
InChIInChI=1S/C15H13Cl2NO2/c1-9(2)18-14(6-4-11(8-19)15(18)20)10-3-5-12(16)13(17)7-10/h3-9H,1-2H3
InChIKeyUHALPLPGMNFLFK-UHFFFAOYSA-N
XLogP4.22
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 6-(3,4-dichlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxo-1-propan-2-yl-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde
CID 82520421
2-oxo-1-propan-2-yl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridine-3-carbaldehyde
CID 82519718
2-oxo-1-propan-2-yl-6-(3-propan-2-yloxyphenyl)pyridine-3-carbaldehyde
CID 82518268
6-(4-ethoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
CID 82517921
6-(2-methoxyphenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde
CID 82519001
1-ethyl-2-oxo-6-(4-propan-2-ylphenyl)pyridine-3-carbaldehyde
CID 82520438
6-(2,5-dichlorophenyl)-1-methyl-2-oxopyridine-3-carbaldehyde
CID 82519097
6-(4-chlorophenyl)-1-(3-methylbutyl)-2-oxopyridine-3-carbaldehyde
CID 82519233
2-chloro-5-propan-2-ylbenzaldehyde;methanamine
CID 168894459
3-amino-6-(3,4-dichlorophenyl)-1-ethylpyridin-2-one
CID 82466961
1-methyl-6-(4-methylphenyl)-2-oxopyridine-3-carbaldehyde
CID 82520943
3-(3,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198971

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde?
The IUPAC name of 6-(3,4-dichlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde (CID 82519120) is 6-(3,4-dichlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde?
The canonical SMILES for 6-(3,4-dichlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde is CC(C)n1c(-c2ccc(Cl)c(Cl)c2)ccc(C=O)c1=O.
What is the InChIKey of 6-(3,4-dichlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde?
The InChIKey is UHALPLPGMNFLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-9(2)18-14(6-4-11(8-19)15(18)20)10-3-5-12(16)13(17)7-10/h3-9H,1-2H3.
What are the key properties of 6-(3,4-dichlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde?
6-(3,4-dichlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde has a molecular weight of 310.18 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-2-oxo-1-propan-2-ylpyridine-3-carbaldehyde is sourced from PubChem (CID 82519120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).